Vitas-M small molecule compound

methyl 4-{3-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate

Catalog ID
STK087837
SMILES COC(=O)c1ccc(cc1)n1c(cc(c1c1ccccc1)C=C1C(=O)N(C)C(=O)N(C1=O)C)c1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C31H25N3O5 MW 519.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N3O5/c1-32-28(35)25(29(36)33(2)31(32)38)18-23-19-26(20-10-6-4-7-11-20)34(27(23)21-12-8-5-9-13-21)24-16-14-22(15-17-24)30(37)39-3/h4-19H,1-3H3
InChIKey
CDWDSSXKJMFTBB-UHFFFAOYSA-N
Synonyms

CN1C(=O)C(=CC2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC)C5=CC=CC=C5)C(=O)N(C1=O)C
COC(=O)c1ccc(cc1)n1c(cc(c1c1ccccc1)C=C1C(=O)N(C)C(=O)N(C1=O)C)c1ccccc1
InChI=1SC31H25N3O5c13228(35)25(29(36)33(2)31(32)38)18231926(20106471120)34(27(23)21128591321)24161422(151724)30(37)393h419H13H3
METHYL4(3((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIPHENYLPYRROL1YL)BENZOATE
METHYL4(3((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIPHENYL1HPYRROL1YL)BENZOATE
MFCD02194650
STK087837
ZINC000002375225
ZINC02375225
ZINC2375225

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Available files

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